Detailed information for compound 227581

Basic information

Technical information
  • TDR Targets ID: 227581
  • Name: 5'-chloro-8'-methoxyspiro[1,4-dihydroimidazol e-5,3'-2,4-dihydro-1H-naphthalene]
  • MW: 250.724 | Formula: C13H15ClN2O
  • H donors: 1 H acceptors: 0 LogP: 2.66 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c2c1CCC1(C2)CN=CN1)Cl
  • InChi: 1S/C13H15ClN2O/c1-17-12-3-2-11(14)10-6-13(5-4-9(10)12)7-15-8-16-13/h2-3,8H,4-7H2,1H3,(H,15,16)
  • InChiKey: ILQSSTFRTJBVNW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 8'-chloro-5'-methoxy-spiro[1,4-dihydroimidazole-5,2'-tetralin]
  • 8'-chloro-5'-methoxyspiro[1,4-dihydroimidazole-5,2'-tetralin]
  • 5'-chloro-8'-methoxy-spiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]
  • 8'-chloro-5'-methoxy-spiro[2-imidazoline-4,2'-tetralin]
  • 5-chloro-8-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-3,5-dihydroimidazole]
  • 8'-chloro-5'-methoxy-spiro[3,5-dihydroimidazole-4,2'-tetralin]
  • 8'-chloro-5'-methoxyspiro[3,5-dihydroimidazole-4,2'-tetralin]
  • 5-chloro-8-methoxy-spiro[2,4-dihydro-1H-naphthalene-3,4'-3,5-dihydroimidazole]

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0083 0.9023 0.9023
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0011 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.0012 0.0197 0.0197
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0023 0.1545 0.1545
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0035 0.0035
Brugia malayi orphan nuclear receptor NR2E1 0.0011 0.0035 0.0035
Echinococcus multilocularis FTZ F1 alpha 0.0023 0.1545 0.1545
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0023 0.1545 0.1545
Loa Loa (eye worm) hypothetical protein 0.0023 0.1545 0.1545
Leishmania major hypothetical protein, conserved 0.0023 0.1581 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0026 0.188 0.188
Brugia malayi Nuclear hormone receptor E75 0.0011 0.0035 0.0035
Brugia malayi nuclear receptor NHR-88 0.0023 0.1545 0.1545
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0023 0.1545 0.1545
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0012 0.0197 0.0197
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0023 0.1545 0.1545
Trichomonas vaginalis ap endonuclease, putative 0.0011 0 0.5
Brugia malayi ecdysteroid receptor 0.0023 0.1545 0.1545
Loa Loa (eye worm) hypothetical protein 0.0023 0.1545 0.1545
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0023 0.1581 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0012 0.0197 0.0197
Echinococcus multilocularis ecdysone induced protein 78C 0.0023 0.1545 0.1545
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0023 0.1581 0.1581
Brugia malayi Nuclear hormone receptor E75 0.0011 0.0035 0.0035
Echinococcus granulosus Nuclear hormone receptor HR96 0.0011 0.0035 0.0035
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0023 0.1545 0.1545
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0023 0.1545 0.1545
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0023 0.1545 0.1545
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0011 0.0035 0.0035
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0023 0.1545 0.168
Loa Loa (eye worm) hypothetical protein 0.0023 0.1545 0.1545
Loa Loa (eye worm) hypothetical protein 0.0011 0.0035 0.0035
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0023 0.1581 1
Brugia malayi hypothetical protein 0.0011 0.0035 0.0035
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0023 0.1545 0.1545
Echinococcus granulosus Nuclear hormone receptor HR96 0.0011 0.0035 0.0035
Schistosoma mansoni tar DNA-binding protein 0.0091 1 1
Loa Loa (eye worm) hepatopoietin HPO2 0.0023 0.1581 0.1581
Echinococcus granulosus FTZ F1 alpha 0.0023 0.1545 0.1545
Loa Loa (eye worm) nuclear hormone receptor 0.0011 0.0035 0.0035
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0026 0.188 0.188
Brugia malayi hypothetical protein 0.0012 0.0197 0.0197
Echinococcus multilocularis thyroid hormone receptor alpha 0.0023 0.1545 0.1545
Loa Loa (eye worm) hypothetical protein 0.0023 0.1545 0.1545
Brugia malayi ecdysone receptor 0.0011 0.0035 0.0035
Schistosoma mansoni tar DNA-binding protein 0.0091 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0035 0.0035
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0011 0 0.5
Brugia malayi nuclear receptor NHR-67 0.0011 0.0035 0.0035
Brugia malayi RNA recognition motif domain containing protein 0.0091 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0023 0.1545 0.1545
Onchocerca volvulus Bile acid receptor homolog 0.0023 0.1545 0.168
Schistosoma mansoni zinc finger protein 0.0011 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.0023 0.1545 0.1545
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0023 0.1545 0.1545
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0026 0.188 0.188
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0023 0.1545 0.1545
Loa Loa (eye worm) RNA binding protein 0.0091 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0023 0.1545 0.1545
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0023 0.1545 0.1545
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0011 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.0023 0.1545 0.1545
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0197 0.0197
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0023 0.1545 0.1545
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0011 0.0035 0.0035
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0023 0.1545 0.1545
Brugia malayi hypothetical protein 0.0012 0.0197 0.0197
Loa Loa (eye worm) hypothetical protein 0.0083 0.9023 0.9023
Trichomonas vaginalis ap endonuclease, putative 0.0011 0 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0023 0.1545 0.1545
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0035 0.0035
Brugia malayi nuclear receptor NHR-88 0.0011 0.0035 0.0035
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0023 0.1545 0.1545
Brugia malayi conserved hypotetical protein 0.0011 0.0035 0.0035
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0023 0.1581 0.1581
Brugia malayi nuclear hormone receptor 0.0011 0.0035 0.0035
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0023 0.1545 0.1545
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0026 0.188 0.188
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0023 0.1545 0.1545
Brugia malayi Augmenter of liver regeneration 0.0023 0.1581 0.1581
Loa Loa (eye worm) hypothetical protein 0.0011 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.0011 0.0035 0.0035
Toxoplasma gondii Erv1 / Alr family protein 0.0023 0.1581 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0012 0.0197 0.0197
Schistosoma mansoni retinoic acid receptor RXR 0.0023 0.1545 0.1545
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0011 0.0035 0.0035
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0023 0.1581 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0035 0.0035
Brugia malayi photoreceptor-specific nuclear receptor 0.0023 0.1545 0.1545
Brugia malayi nuclear receptor RXR 0.0012 0.0197 0.0197
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0023 0.1545 0.1545
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0011 0.0035 0.0035
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0023 0.1545 0.1545
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0011 0 0.5
Loa Loa (eye worm) TAR-binding protein 0.0091 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0023 0.1545 0.1545
Schistosoma mansoni nuclear receptor 0.0011 0.0035 0.0035
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0023 0.1581 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0035 0.0035
Schistosoma mansoni thyroid hormone receptor 0.0023 0.1545 0.1545
Loa Loa (eye worm) hypothetical protein 0.0023 0.1545 0.1545
Loa Loa (eye worm) DR-78 0.0011 0.0035 0.0035
Brugia malayi nuclear receptor RXR 0.0011 0.0035 0.0035
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0023 0.1545 0.1545
Echinococcus granulosus nuclear receptor nhr 48 0.0011 0.0035 0.0035
Loa Loa (eye worm) nuclear receptor NHR-67 0.0011 0.0035 0.0035
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0197 0.0197
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0023 0.1545 0.1545
Loa Loa (eye worm) hypothetical protein 0.0012 0.0197 0.0197
Brugia malayi hypothetical protein 0.0083 0.9023 0.9023
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0023 0.1545 0.1545
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0023 0.1545 0.1545
Loa Loa (eye worm) hypothetical protein 0.0012 0.0197 0.0197
Loa Loa (eye worm) hypothetical protein 0.0011 0.0035 0.0035
Echinococcus multilocularis tar DNA binding protein 0.0091 1 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0011 0.0035 0.0035
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0023 0.1545 0.1545
Onchocerca volvulus Huntingtin homolog 0.0083 0.9023 1
Echinococcus granulosus tar DNA binding protein 0.0091 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0023 0.1545 0.1545
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0023 0.1545 0.1545
Loa Loa (eye worm) hypothetical protein 0.0011 0.0035 0.0035
Schistosoma mansoni nuclear receptor nhr-48 0.0011 0.0035 0.0035
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0023 0.1545 0.1545
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0023 0.1581 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0023 0.1545 0.1545
Loa Loa (eye worm) hypothetical protein 0.0012 0.0197 0.0197
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0012 0.0197 0.0197
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0023 0.1545 0.1545
Brugia malayi Nuclear hormone receptor-like 1 0.0023 0.1545 0.1545
Toxoplasma gondii Erv1 / Alr family protein 0.0023 0.1581 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.1545 0.1545
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0023 0.1545 0.1545
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0011 0.0035 0.0035
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0026 0.188 0.188
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0035 0.0035
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0011 0 0.5
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0011 0 0.5
Brugia malayi tailless protein 0.0011 0.0035 0.0035
Schistosoma mansoni steroid hormone receptor ad4bp 0.0023 0.1545 0.1545
Schistosoma mansoni nuclear receptor 0.0011 0.0035 0.0035
Brugia malayi nuclear hormone receptor family member odr-7 0.0011 0.0035 0.0035
Schistosoma mansoni RAR-like nuclear receptor 0.0023 0.1545 0.1545
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0026 0.188 0.188
Echinococcus multilocularis nuclear receptor nhr 48 0.0011 0.0035 0.0035
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0026 0.188 0.188
Loa Loa (eye worm) hypothetical protein 0.0011 0.0035 0.0035
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0023 0.1545 0.1545
Loa Loa (eye worm) hypothetical protein 0.0011 0.0035 0.0035
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0023 0.1545 0.1545
Schistosoma mansoni tar DNA-binding protein 0.0091 1 1
Brugia malayi nuclear hormone receptor 0.0023 0.1545 0.1545
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0023 0.1581 1
Echinococcus granulosus ecdysone induced protein 78C 0.0023 0.1545 0.1545
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0026 0.188 0.188
Schistosoma mansoni nuclear hormone receptor 0.0023 0.1545 0.1545
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0091 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0023 0.1545 0.1545
Treponema pallidum exodeoxyribonuclease (exoA) 0.0011 0 0.5
Onchocerca volvulus 0.0023 0.1545 0.168
Loa Loa (eye worm) hypothetical protein 0.0011 0.0035 0.0035
Echinococcus granulosus thyroid hormone receptor alpha 0.0011 0.0035 0.0035
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0026 0.188 0.188
Brugia malayi Steroid receptor seven-up type 2 0.0023 0.1545 0.1545
Onchocerca volvulus Protein ultraspiracle homolog 0.0023 0.1545 0.168
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0011 0.0035 0.0035
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0011 0 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0023 0.1545 0.1545
Brugia malayi hypothetical protein 0.0011 0.0035 0.0035
Brugia malayi steroid hormone receptor 0.0023 0.1545 0.1545
Loa Loa (eye worm) hypothetical protein 0.0011 0.0035 0.0035
Onchocerca volvulus Huntingtin homolog 0.0083 0.9023 1
Schistosoma mansoni tar DNA-binding protein 0.0091 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0023 0.1545 0.1545
Schistosoma mansoni coup transcription factor 0.0023 0.1545 0.1545
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0023 0.1545 0.1545
Brugia malayi TAR-binding protein 0.0091 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0197 0.0197
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0023 0.1545 0.1545
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0035 0.0035
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0011 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.0011 0.0035 0.0035
Schistosoma mansoni tar DNA-binding protein 0.0091 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0197 0.0197
Schistosoma mansoni thyroid hormone receptor 0.0023 0.1545 0.1545

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.027 uM Effective concentration for the agonist in the isolated blood vessel using in vitro saphenous vein ChEMBL. 7562941
EC50 (functional) = 0.27 uM Effective concentration for the agonist in the isolated blood vessel using in vitro femoral artery ChEMBL. 7562941
Emax (functional) = 102 Maximal contractile response obtained with the agonist (expressed as a percentage of the maximal contraction to phenylephrine in the dog femoral artery) ChEMBL. 7562941
Emax (functional) = 106 Maximal contractile response obtained with the agonist (expressed as a percentage of the maximal contraction to phenylephrine in the dog saphenous vein) ChEMBL. 7562941

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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